2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]isoindoline-1,3-quinone Formula: C27H26N3O3+ MolecularWeight: 440.51364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H25N3O3/c31-24(19-30-26(32)22-13-7-8-14-23(22)27(30)33)28-15-17-29(18-16-28)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,25H,15-19H2/p+1